orbital_charges     :real:2:4,4
  0.750241694317563E+000  0.686062480458313E+000  0.686062480458314E+000
  0.686062480458314E+000  0.397190288102499E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.397190288102499E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.397190288102499E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000
forces              :real:2:3,4
 -0.168537245047120E-005  0.168537244613613E-005 -0.168537245051355E-005
 -0.150707735988138E-002 -0.301584009221319E-002 -0.150707735988136E-002
  0.301584009221323E-002  0.150707735988139E-002 -0.150707735988138E-002
 -0.150707735988138E-002  0.150707735988566E-002  0.301584009221324E-002
mermin_energy       :real:0:
 -0.262800575411083E+001
end_coords          :real:2:3,4
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
 -0.838771528516714E+000 -0.167677854948749E+001 -0.838771528516714E+000
  0.167677854948749E+001  0.838771528516714E+000 -0.838771528516714E+000
 -0.838771528516714E+000  0.838771528516714E+000  0.167677854948749E+001
